U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C19H25NO4
Molecular Weight 331.4061
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NBOME-MESCALINE

SMILES

COC1=CC=CC=C1CNCCC2=CC(OC)=C(OC)C(OC)=C2

InChI

InChIKey=USPSMWCGHVXKMN-UHFFFAOYSA-N
InChI=1S/C19H25NO4/c1-21-16-8-6-5-7-15(16)13-20-10-9-14-11-17(22-2)19(24-4)18(12-14)23-3/h5-8,11-12,20H,9-10,13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C19H25NO4
Molecular Weight 331.4061
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
3.0 µM [EC50]
0.64 µM [Ki]

PubMed

Substance Class Chemical
Record UNII
NS6YSG7F4H
Record Status Validated (UNII)
Record Version